N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

C17H27N3 — CID 62095155

IUPACN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C17H27N3/c1-19-8-5-14(6-9-19)12-18-13-15-3-4-17-16(11-15)7-10-20(17)2/h3-4,11,14,18H,5-10,12-13H2,1-2H3
InChIKeyZWOHWMXNDAAWFI-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.11
Rot. Bonds4

About N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine

N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 62095155) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID62095155
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2ccc3c(c2)CCN3C)CC1
InChIInChI=1S/C17H27N3/c1-19-8-5-14(6-9-19)12-18-13-15-3-4-17-16(11-15)7-10-20(17)2/h3-4,11,14,18H,5-10,12-13H2,1-2H3
InChIKeyZWOHWMXNDAAWFI-UHFFFAOYSA-N
XLogP2.11
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778
1-(2,2-dimethylcyclopropyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]methanamine
CID 103838354
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
CID 63250976
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 62096486
3-(cyclopropylmethoxy)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]propan-1-amine
CID 62097378
2-bromo-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 115756694
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
1-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]pentan-2-ol
CID 115756799
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]butan-1-amine
CID 62096654
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]prop-2-en-1-amine
CID 62070317
2,2-dimethyl-3-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propan-1-ol
CID 115359011

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine (CID 62095155) is N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CNCc2ccc3c(c2)CCN3C)CC1.
What is the InChIKey of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is ZWOHWMXNDAAWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-8-5-14(6-9-19)12-18-13-15-3-4-17-16(11-15)7-10-20(17)2/h3-4,11,14,18H,5-10,12-13H2,1-2H3.
What are the key properties of N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine?
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 62095155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).